SCHEMBL3174396

SCHEMBL3174396

O=C(NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)c1cccc2c1CCN2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.41
EPHX2 P34913 1/20 0.38
GPR52 Q9Y2T5 3/20 0.37
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
TNKS O95271 1/20 0.35
DRD3 P35462 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3174779 0.88 PTGDR2 (0.39) PTGDR2EPHX2DRD2DRD4MAPT
SCHEMBL3165181 0.87 PTGDR2 (0.42) PTGDR2EPHX2GPR52DRD2DRD4
SCHEMBL12678729 0.82 EPHX2 (0.39) PTGDR2EPHX2GPR52DRD2DRD4
SCHEMBL12678725 0.82 PTGDR2 (0.40) PTGDR2EPHX2DRD2DRD4DRD3
SCHEMBL27849999 0.81 PTGDR2 (0.38) PTGDR2EPHX2GPR52DRD2DRD4
SCHEMBL3174487 0.80 PTGDR2 (0.42) PTGDR2EPHX2MAPT
SCHEMBL4272095 0.76 TNKS (0.39) GPR52KMT2ATNKS
SCHEMBL27792895 0.75 PTGDR2 (0.44) PTGDR2GPR52KMT2AMAPT
SCHEMBL3166094 0.75 HDAC1 (0.47) PTGDR2EPHX2DRD2MAPTDRD3
SCHEMBL3164878 0.75 PTGDR2 (0.53) PTGDR2EPHX2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885EPHX2 2100/4885GPR52 36/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.